HMDB0298973 RDKit 3D DG(i-15:0/20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 16.8508 0.3680 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5768 0.6275 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8705 -0.6927 0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5880 -0.6056 1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6212 0.3599 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3609 0.4761 1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1731 0.2105 1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9706 -0.2523 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7441 -0.5072 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5183 -0.3680 0.0110 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3589 0.8157 0.7059 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2236 -1.5317 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9467 -1.2153 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -1.9748 1.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 -3.2184 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7986 -3.1346 -0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 -2.0641 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 -2.0375 -1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 -0.9006 -2.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 0.4174 -1.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0301 0.6475 -1.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3188 1.2845 -2.3487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 0.2403 -0.3459 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 0.5364 -0.1133 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7066 -0.8077 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 -1.3977 -1.4579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 1.1589 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5318 1.5700 1.3655 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 2.5805 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0864 3.0923 -0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 3.1495 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3377 2.4030 1.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5288 0.9952 0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8479 0.9309 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0244 1.5608 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3954 1.1614 -0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8771 1.3028 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3471 0.8954 0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5494 -0.5207 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9897 -1.0076 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9207 -0.2199 -0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3519 -0.6410 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5437 -2.0744 -0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9810 -0.5343 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2310 -0.6472 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6181 1.1637 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6328 0.4568 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8001 1.1210 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9766 1.3324 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6222 -1.0236 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5499 -1.4623 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1851 -1.6051 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8341 -0.2040 2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1653 1.3444 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5078 0.0773 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4222 0.8270 2.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 0.3440 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8211 -0.4060 -1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6992 -0.8598 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6691 -0.3563 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2045 1.6121 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 -1.6082 1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 -2.4150 0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8543 -0.2860 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 -1.6631 2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7303 -3.5865 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4883 -4.0847 1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6364 -3.9812 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 -1.2053 0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0479 -3.0047 -2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0947 -1.7957 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7598 -0.8620 -3.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 -1.0809 -3.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 0.4785 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 1.1851 -2.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 1.1070 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7303 -0.7829 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 -1.4926 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -0.9457 -2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4655 2.0180 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9201 0.4135 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 4.2426 0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 3.1758 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0921 2.3130 2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2623 3.0130 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1161 0.4065 1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 0.5365 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9207 -0.1890 -0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9025 1.2036 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9347 1.4219 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0015 2.6946 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6291 0.1410 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 1.8264 -1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8685 2.3902 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3076 0.6960 1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9472 1.6172 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5637 1.0312 1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9086 -1.1918 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2173 -0.6949 -0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9493 -2.0746 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2773 -1.0160 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8152 0.8811 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5878 -0.3292 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9413 0.0128 -1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4991 -2.4459 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6646 -2.1316 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7481 -2.7524 -0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3956 0.4904 1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8484 -1.2245 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2490 -0.6549 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 6 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 6 25 77 1 0 25 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END